N-(4-aminocyclohexyl)-N-ethyl-3H-benzimidazole-5-carboxamide

C16H22N4O — CID 79114771

IUPACN-(4-aminocyclohexyl)-N-ethyl-3H-benzimidazole-5-carboxamide
SMILESCCN(C(=O)c1ccc2nc[nH]c2c1)C1CCC(N)CC1
InChIInChI=1S/C16H22N4O/c1-2-20(13-6-4-12(17)5-7-13)16(21)11-3-8-14-15(9-11)19-10-18-14/h3,8-10,12-13H,2,4-7,17H2,1H3,(H,18,19)
InChIKeyVAAAZWBKWVONFX-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.29
Rot. Bonds3

About N-(4-aminocyclohexyl)-N-ethyl-3H-benzimidazole-5-carboxamide

N-(4-aminocyclohexyl)-N-ethyl-3H-benzimidazole-5-carboxamide (PubChem CID 79114771) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-N-ethyl-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-N-ethyl-3H-benzimidazole-5-carboxamide
PubChem CID79114771
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC NameN-(4-aminocyclohexyl)-N-ethyl-3H-benzimidazole-5-carboxamide
SMILESCCN(C(=O)c1ccc2nc[nH]c2c1)C1CCC(N)CC1
InChIInChI=1S/C16H22N4O/c1-2-20(13-6-4-12(17)5-7-13)16(21)11-3-8-14-15(9-11)19-10-18-14/h3,8-10,12-13H,2,4-7,17H2,1H3,(H,18,19)
InChIKeyVAAAZWBKWVONFX-UHFFFAOYSA-N
XLogP2.29
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-N-(2-methoxyethyl)-3H-benzimidazole-5-carboxamide
CID 54876843
N-cyclopropyl-N-[(4-nitrophenyl)methyl]-3H-benzimidazole-5-carboxamide
CID 91646641
N-(4-aminocyclohexyl)-N-ethylpyridine-4-carboxamide
CID 79115334
N-methyl-N-[(2-methylcyclopropyl)methyl]-3H-benzimidazole-5-carboxamide
CID 63860629
N-ethyl-N-prop-2-enyl-3H-benzimidazole-5-carboxamide
CID 78984706
N-(2-bicyclo[2.2.1]heptanylmethyl)-N-methyl-3H-benzimidazole-5-carboxamide
CID 63686305
N-(4-aminocyclohexyl)-N-ethyl-4-methoxybenzamide
CID 79115419
2-[3H-benzimidazole-5-carbonyl(tert-butyl)amino]acetic acid
CID 79265620
N-methyl-N-propan-2-yl-3H-benzimidazole-5-carboxamide
CID 43420531
N-methyl-N-(oxolan-2-ylmethyl)-3H-benzimidazole-5-carboxamide
CID 61433534
3-bromo-N-cyclopropyl-N-ethylbenzamide
CID 43243353
N-[3-[propyl(pyrrolidin-3-yl)carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide
CID 119530413

Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-N-ethyl-3H-benzimidazole-5-carboxamide?
The IUPAC name of N-(4-aminocyclohexyl)-N-ethyl-3H-benzimidazole-5-carboxamide (CID 79114771) is N-(4-aminocyclohexyl)-N-ethyl-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for N-(4-aminocyclohexyl)-N-ethyl-3H-benzimidazole-5-carboxamide?
The canonical SMILES for N-(4-aminocyclohexyl)-N-ethyl-3H-benzimidazole-5-carboxamide is CCN(C(=O)c1ccc2nc[nH]c2c1)C1CCC(N)CC1.
What is the InChIKey of N-(4-aminocyclohexyl)-N-ethyl-3H-benzimidazole-5-carboxamide?
The InChIKey is VAAAZWBKWVONFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-2-20(13-6-4-12(17)5-7-13)16(21)11-3-8-14-15(9-11)19-10-18-14/h3,8-10,12-13H,2,4-7,17H2,1H3,(H,18,19).
What are the key properties of N-(4-aminocyclohexyl)-N-ethyl-3H-benzimidazole-5-carboxamide?
N-(4-aminocyclohexyl)-N-ethyl-3H-benzimidazole-5-carboxamide has a molecular weight of 286.38 g/mol, XLogP of 2.29, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-N-ethyl-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 79114771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).